chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene

C87H82ClN7O13 — CID 159758047

IUPACchloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene
SMILESCC1=C(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c2ccccc2C1.CC1=C(/C=C2\Oc3c(ccc(O)c3CN3CCNCC3)C2=O)c2ccccc2C1.CC1=C(/C=C2\Oc3cc(O)ccc3C2=O)c2ccccc2C1.COC1=C(C)Cc2ccccc21.O=C1COc2cc(O)ccc21.[H]/N=N/N=NCl
InChIInChI=1S/C25H25NO3.C24H24N2O3.C19H14O3.C11H12O.C8H6O3.ClHN4/c1-16-13-17-7-3-4-8-18(17)20(16)14-23-24(28)19-9-10-22(27)21(25(19)29-23)15-26-11-5-2-6-12-26;1-15-12-16-4-2-3-5-17(16)19(15)13-22-23(28)18-6-7-21(27)20(24(18)29-22)14-26-10-8-25-9-11-26;1-11-8-12-4-2-3-5-14(12)16(11)10-18-19(21)15-7-6-13(20)9-17(15)22-18;1-8-7-9-5-3-4-6-10(9)11(8)12-2;9-5-1-2-6-7(10)4-11-8(6)3-5;1-3-5-4-2/h3-4,7-10,14,27H,2,5-6,11-13,15H2,1H3;2-7,13,25,27H,8-12,14H2,1H3;2-7,9-10,20H,8H2,1H3;3-6H,7H2,1-2H3;1-3,9H,4H2;2H/b23-14-;22-13-;18-10-;;;4-2+,5-3?
InChIKeyNENDQPHMQCRBBQ-ZFWIZTLBSA-N
MW1469.10 g/mol
LogP17.16
Rot. Bonds9

About chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene

chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene (PubChem CID 159758047) has the molecular formula C87H82ClN7O13 and a molecular weight of 1469.10 g/mol. Its IUPAC name is chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene.

Molecular Properties

Compound Namechloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene
PubChem CID159758047
Molecular FormulaC87H82ClN7O13
Molecular Weight1469.10 g/mol
Exact Mass1467.57
IUPAC Namechloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene
SMILESCC1=C(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c2ccccc2C1.CC1=C(/C=C2\Oc3c(ccc(O)c3CN3CCNCC3)C2=O)c2ccccc2C1.CC1=C(/C=C2\Oc3cc(O)ccc3C2=O)c2ccccc2C1.COC1=C(C)Cc2ccccc21.O=C1COc2cc(O)ccc21.[H]/N=N/N=NCl
InChIInChI=1S/C25H25NO3.C24H24N2O3.C19H14O3.C11H12O.C8H6O3.ClHN4/c1-16-13-17-7-3-4-8-18(17)20(16)14-23-24(28)19-9-10-22(27)21(25(19)29-23)15-26-11-5-2-6-12-26;1-15-12-16-4-2-3-5-17(16)19(15)13-22-23(28)18-6-7-21(27)20(24(18)29-22)14-26-10-8-25-9-11-26;1-11-8-12-4-2-3-5-14(12)16(11)10-18-19(21)15-7-6-13(20)9-17(15)22-18;1-8-7-9-5-3-4-6-10(9)11(8)12-2;9-5-1-2-6-7(10)4-11-8(6)3-5;1-3-5-4-2/h3-4,7-10,14,27H,2,5-6,11-13,15H2,1H3;2-7,13,25,27H,8-12,14H2,1H3;2-7,9-10,20H,8H2,1H3;3-6H,7H2,1-2H3;1-3,9H,4H2;2H/b23-14-;22-13-;18-10-;;;4-2+,5-3?
InChIKeyNENDQPHMQCRBBQ-ZFWIZTLBSA-N
XLogP17.16
TPSA274.79 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001469.10
LogP ≤ 517.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 159758050
(2Z)-7-(1,4-diazepan-1-ylmethyl)-6-hydroxy-2-(3H-inden-1-ylmethylidene)-1-benzofuran-3-one
CID 161320110
7-(azepan-1-ylmethyl)-6-hydroxy-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 4833690
(2Z)-2-[(5-amino-3H-inden-1-yl)methylidene]-6-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 160668750
(2Z)-6-hydroxy-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 7095052
2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-7-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-3-one
CID 163117688
methyl 1-[(Z)-[6-hydroxy-3-oxo-7-(piperazin-1-ylmethyl)-1-benzofuran-2-ylidene]methyl]-3H-indene-5-carboxylate
CID 159256557
7-(azepan-1-ylmethyl)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 4899614
2-(furan-2-ylmethylidene)-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 4890241
methyl 4-[(Z)-[6-hydroxy-3-oxo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-2-ylidene]methyl]benzoate
CID 7198000
(2Z)-7-(azepan-1-ylmethyl)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 35494331
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one
CID 2034533

Frequently Asked Questions

What is the IUPAC name of chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene?
The IUPAC name of chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene (CID 159758047) is chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene.
What is the SMILES notation for chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene?
The canonical SMILES for chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene is CC1=C(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)c2ccccc2C1.CC1=C(/C=C2\Oc3c(ccc(O)c3CN3CCNCC3)C2=O)c2ccccc2C1.CC1=C(/C=C2\Oc3cc(O)ccc3C2=O)c2ccccc2C1.COC1=C(C)Cc2ccccc21.O=C1COc2cc(O)ccc21.[H]/N=N/N=NCl.
What is the InChIKey of chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene?
The InChIKey is NENDQPHMQCRBBQ-ZFWIZTLBSA-N. The full InChI is InChI=1S/C25H25NO3.C24H24N2O3.C19H14O3.C11H12O.C8H6O3.ClHN4/c1-16-13-17-7-3-4-8-18(17)20(16)14-23-24(28)19-9-10-22(27)21(25(19)29-23)15-26-11-5-2-6-12-26;1-15-12-16-4-2-3-5-17(16)19(15)13-22-23(28)18-6-7-21(27)20(24(18)29-22)14-26-10-8-25-9-11-26;1-11-8-12-4-2-3-5-14(12)16(11)10-18-19(21)15-7-6-13(20)9-17(15)22-18;1-8-7-9-5-3-4-6-10(9)11(8)12-2;9-5-1-2-6-7(10)4-11-8(6)3-5;1-3-5-4-2/h3-4,7-10,14,27H,2,5-6,11-13,15H2,1H3;2-7,13,25,27H,8-12,14H2,1H3;2-7,9-10,20H,8H2,1H3;3-6H,7H2,1-2H3;1-3,9H,4H2;2H/b23-14-;22-13-;18-10-;;;4-2+,5-3?.
What are the key properties of chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene?
chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene has a molecular weight of 1469.10 g/mol, XLogP of 17.16, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diazenyl)diazene;6-hydroxy-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one;3-methoxy-2-methyl-1H-indene is sourced from PubChem (CID 159758047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).